Acetic Acid → HCID 57075633, compound

HRID 2126453Notes

Reaction equation

[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:58])[CH:5]=[CH:6][CH:7]([CH3:57])[CH:8]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:54][CH3:55])[CH:48]([N:51]=[N+:52]=[N-:53])[CH2:49][CH2:50]2)[CH3:56])[O:9][C:10](=[O:42])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:41])[C:18](=[O:40])[C:19]2([OH:39])[CH:20]([CH3:38])[CH2:21][CH:22]([O:36][CH3:37])[CH:23]([CH:24]([O:33][CH3:34])[CH2:25][CH:26]([CH3:32])[CH:27]([F:31])[C:28]([CH3:30])=[CH:29]1)[O:35]2.[CH2:63]([SnH:64]([CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH3:75].[CH3:59][C:60](=[O:61])[OH:62].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:58])[CH2:5][CH2:6][CH:7]([CH3:57])[CH:8]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:54][CH3:55])[CH:48]([N:51]=[N+:52]=[N-:53])[CH2:49][CH2:50]2)[CH3:56])[O:9][C:10](=[O:42])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:41])[C:18](=[O:40])[C:19]2([OH:39])[CH:20]([CH3:38])[CH2:21][CH:22]([O:36][CH3:37])[CH:23]([CH:24]([O:33][CH3:34])[CH2:25][CH:26]([CH3:32])[CH:27]([F:31])[C:28]([CH3:30])=[CH:29]1)[O:35]2

Participants

Reactant 4

HCID 176Acetic Acid

HCID 1140Toluene

HCID 5948Tributylstannane

HCID 57176286HCID 57176286, compound

Product 1

HCID 57075633HCID 57075633, compound

Sources & evidence

ORD record: ord-2e3359f7c8234c3cbd9209f15af1c620
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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